Table 1.
Significantly differential metabolites in testicular tissue of BDE-3 treated mice.
| No. | M/Z | RT(min) | Ion | VIP | HMDB | Metabolites | Formula | aFC(A) | FC(B) | FC(C) | FC(D) | Pathway | |||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 0.0015 | 1.5 | 10 | 30 | ||||||||||||
| 1 | 184.073 | 0.717718 | [M+H]+ | 1.08 | 2.03 | 2.57 | 0.53 | HMDB0001565 | Phosphocholine | C5H14NO4P | — | — | 1.33‡ | — | Sphingolipid metabolism |
| 2 | 215.034 | 0.668722 | [M+Cl]− | 0.78 | 0.39 | 0.37 | 1.16 | HMDB0000122 | D-Glucose | C6H12O6 | — | — | — | 0.85* | Glycolysis |
| 3 | 162.112 | 0.677051 | [M+H]+ | 1.10 | 1.30 | 1.75 | 1.20 | HMDB0000062 | L-Carnitine | C7H15NO3 | — | — | 1.33* | — | Lysine degradation |
| 4 | 90.055 | 0.698048 | [M+H]+ | 0.31 | 0.85 | 1.56 | 0.19 | HMDB0000161 | Alanine | C3H7NO2 | — | — | 1.19† | — | Phenylalanine, tyrosine and tryptophan biosynthesis |
| 5 | 132.077 | 0.700012 | [M+H]+ | 4.13 | 9.42 | 11.54 | 1.57 | HMDB0000064 | Creatine | C4H9N3O2 | — | — | 1.22‡ | — | Arginine and proline metabolism |
| 6 | 116.07 | 0.712477 | [M+H]+ | 2.00 | 1.15 | 1.45 | 1.39 | HMDB0000162 | L-Proline | C5H9NO2 | 1.14* | — | 1.15* | — | Arginine and proline metabolism |
| 7 | 346.047 | 0.729041 | [M+H]+ | 0.13 | 1.55 | 1.28 | 1.01 | HMDB0001314 | cGMP | C10H12N5O7P | — | 1.11* | 1.15† | 1.13† | cGMP-PKG signaling pathway |
| 8 | 330.073 | 0.732617 | [M+Na]+ | 0.74 | 1.35 | 1.00 | 0.91 | HMDB0000125 | Glutathione | C10H17N3O6S | 1.08* | 1.16‡ | 1.2‡ | 1.17‡ | Glutathione metabolism |
| 9 | 259.023 | 0.733917 | [M−H]− | 0.65 | 0.43 | 1.37 | 0.56 | HMDB0001401 | D-Glucose 6-phosphate | C6H13O9P | — | — | 1.29‡ | — | Glycolysis |
| 10 | 171.007 | 0.7364 | [M−H]− | 0.30 | 0.98 | 1.55 | 0.86 | — | D-Glycerol 1-phosphate | C3H9O6P | — | — | 1.83‡ | 1.4† | |
| 11 | 175.025 | 0.868175 | [M−H]− | 0.90 | 2.36 | 4.07 | 3.67 | HMDB0000044 | L-Ascorbic acid | C6H8O6 | — | — | — | 0.6* | |
| 12 | 204.123 | 0.869535 | [M+H]+ | 3.89 | 1.19 | 2.99 | 0.25 | HMDB0000201 | Acetylcarnitine | C9H17NO4 | — | — | 1.38* | — | Insulin resistance |
| 13 | 565.048 | 0.87205 | [M−H]− | 1.21 | 0.88 | 1.67 | 1.18 | HMDB0000286 | UDP-glucose | C15H24N2O17P2 | — | — | 1.17† | 1.15* | Pyrimidine metabolism |
| 14 | 606.074 | 0.875378 | [M−H]− | 1.41 | 0.80 | 0.82 | 0.94 | HMDB0000304 | UDP-N-acetyl-D-galactosamine | C17H27N3O17P2 | 1.17* | — | — | 1.19* | Amino sugar and nucleotide sugar metabolism |
| 15 | 150.058 | 1.00794 | [M+H]+ | 3.03 | 1.07 | 0.49 | 1.96 | HMDB0000696 | L-Methionine | C5H11NO2S | 1.21‡ | — | — | 0.84† | Cysteine and methionine metabolism |
| 16 | 137.046 | 1.01139 | [M+H]+ | 2.26 | 3.94 | 2.61 | 4.59 | HMDB0000157 | Hypoxanthine | C5H4N4O | — | — | — | 0.86‡ | Purine metabolism |
| 17 | 151.026 | 1.03714 | [M−H]− | 0.93 | 1.46 | 0.36 | 1.45 | HMDB0000292 | Xanthine | C5H4N4O2 | — | 0.88† | — | 0.82‡ | Purine metabolism |
| 18 | 180.067 | 1.11158 | [M−H]− | 1.13 | 0.25 | 0.64 | 0.50 | HMDB0000158 | L-Tyrosine | C9H11NO3 | 1.22† | — | 1.17* | — | Tyrosine metabolism |
| 19 | 268.104 | 1.18454 | [M+H]+ | 2.15 | 1.67 | 2.05 | 0.83 | HMDB0000050 | Adenosine | C10H13N5O4 | 0.79* | — | 0.71† | — | Purine metabolism |
| 20 | 132.102 | 1.20861 | [M+H]+ | 9.50 | 4.85 | 0.75 | 3.67 | HMDB0000687 | L-Leucine | C6H13NO2 | 1.23‡ | — | — | 0.91* | Valine, leucine and isoleucine degradation |
| 21 | 269.088 | 1.27399 | [M+H]+ | 0.32 | 1.94 | 2.01 | 2.24 | HMDB0000195 | Inosine | C10H12N4O5 | — | — | 1.13† | 1.13† | Purine metabolism |
| 22 | 164.072 | 2.0733 | [M−H]− | 1.44 | 1.01 | 1.15 | 1.26 | HMDB0000159 | L-Phenylalanine | C9H11NO2 | 1.11* | — | 0.88* | 0.84† | Phenylalanine, tyrosine and tryptophan biosynthesis |
| 23 | 357.089 | 2.45789 | [M−H]− | 0.45 | 0.45 | 0.98 | 1.37 | HMDB0001416 | D-Pantetheine 4′-phosphate | C11H23N2O7PS | — | — | 1.12† | 1.26‡ | |
| 24 | 220.118 | 2.69811 | [M+H]+ | 0.58 | 0.22 | 0.89 | 1.11 | HMDB0000210 | Pantothenic Acid | C9H17NO5 | — | — | 0.92* | 0.9† | Vitamin digestion and absorption |
| 25 | 203.083 | 3.9441 | [M−H]− | 0.78 | 1.00 | 1.08 | 1.07 | HMDB0000929 | L-Tryptophan | C11H12N2O2 | — | 0.92* | 0.87† | 0.83‡ | Tryptophan metabolism/Aminoacyl-tRNA biosynthesis/Phenylalanine, tyrosine and tryptophan biosynthesis |
| 26 | 119.073 | 4.44353 | [M+H]+ | 0.51 | 0.88 | 1.05 | 0.20 | HMDB0040735 | Ethyl lactate | C5H10O3 | — | — | 1.21† | — | Pyruvate metabolism |
| 27 | 790.208 | 4.59486 | [M+H]+ | 1.45 | 0.13 | 0.26 | 0.47 | HMDB0001197 | Reduced flavine adenine dinucleotide (FADH2) | C27H37N9O15P2 | 1.6‡ | — | — | — | Riboflavin metabolism |
| 28 | 677.484 | 4.59681 | [M+H]+ | 1.34 | 0.19 | 0.28 | 0.56 | HMDB0011204 | PG(P-16:0/14:1) | C36H69O9P | 1.52† | — | — | — | |
| 29 | 131.072 | 5.05562 | [M−H]− | 0.57 | 1.05 | 0.88 | 0.85 | HMDB0000665 | Leucic acid | C6H12O3 | 0.88* | 0.7‡ | 0.68‡ | 0.61‡ | |
| 30 | 779.581 | 5.82323 | [M+H]+ | 0.26 | 1.09 | 1.29 | 2.26 | HMDB0010602 | PG(18:0/18:0) | C42H83O10P | — | — | 1.3‡ | 0.24‡ | |
| 31 | 957.628 | 6.86155 | [M+H]+ | 0.44 | 1.05 | 0.93 | 0.72 | HMDB0009817 | PI(21:0/22:4) | C52H93O13P | — | 1.47‡ | 1.81‡ | 0.5‡ | |
| 32 | 157.061 | 7.51482 | [M+Na]+ | 0.98 | 1.90 | 0.72 | 0.76 | HMDB0012251 | L-Canaline | C4H10N2O3 | 1.62 | 2.67‡ | 1.72 | 1.86 | |
| 33 | 621.303 | 10.0596 | [M+H]+ | 1.44 | 1.86 | 1.43 | 1.80 | HMDB0009897 | PI(20:4/0:0) | C29H49O12P | 0.81‡ | 0.73‡ | 0.66‡ | 0.46‡ | |
| 34 | 478.293 | 10.2657 | [M+H]+ | 0.22 | 1.08 | 0.25 | 0.35 | HMDB0011477 | LysoPE(0:0/18:2) | C23H44NO7P | — | 1.24† | — | — | |
| 35 | 524.278 | 10.2884 | [M−H]− | 2.32 | 2.21 | 2.02 | 2.04 | HMDB0011496 | LysoPE(0:0/22:6) | C27H44NO7P | 0.77‡ | 0.76‡ | 0.73‡ | 0.64‡ | |
| 36 | 1001.56 | 10.3001 | [M+Cl]− | 1.49 | 1.49 | 1.49 | 1.34 | HMDB0009791 | PI(22:2/22:4) | C53H91O13P | 0.64‡ | 0.57‡ | 0.45‡ | 0.39‡ | |
| 37 | 520.34 | 10.304 | [M+H]+ | 0.68 | 3.06 | 0.55 | 0.56 | HMDB0010386 | LysoPC(18:2) | C26H50NO7P | — | 1.26† | — | — | |
| 38 | 500.279 | 10.3084 | [M−H]− | 4.38 | 4.44 | 4.23 | 4.19 | HMDB0011487 | LysoPE(0:0/20:4) | C25H44NO7P | 0.79‡ | 0.75‡ | 0.71‡ | 0.61‡ | |
| 39 | 568.34 | 10.3287 | [M+H]+ | 3.44 | 1.46 | 2.39 | 1.93 | HMDB0010404 | LysoPC(22:6) | C30H50NO7P | 0.83† | — | 0.84† | 0.87* | |
| 40 | 1043.61 | 10.3316 | [M+Cl]− | 1.50 | 1.43 | 1.57 | 1.43 | HMDB0004888 | Ganglioside GA2 (d18:1/12:0) | C50H92N2O18 | 0.73‡ | 0.69‡ | 0.56‡ | 0.5‡ | |
| 41 | 566.321 | 10.3614 | [M+Na]+ | 0.72 | 0.67 | 1.09 | 0.25 | HMDB0010396 | LysoPC(20:4) | C28H50NO7P | — | — | 1.22† | — | |
| 42 | 546.355 | 10.5766 | [M+H]+ | 3.82 | 4.56 | 3.63 | 4.11 | HMDB0010393 | LysoPC(20:3) | C28H52NO7P | 0.69‡ | 0.59‡ | 0.48‡ | 0.31‡ | |
| 43 | 448.342 | 10.5995 | [M+H]+ | 1.07 | 0.88 | 1.02 | 1.04 | HMDB0062343 | N-stearoyl tyrosine | C27H45NO4 | 1.5* | — | 1.73‡ | 1.76‡ | |
| 44 | 454.293 | 10.64 | [M+H]+ | 1.82 | 4.81 | 4.33 | 5.75 | HMDB0011473 | LysoPE(0:0/16:0) | C21H44NO7P | — | 0.91† | 0.85‡ | 0.75‡ | |
| 45 | 571.289 | 10.6421 | [M−H]− | 1.03 | 1.27 | 0.64 | 1.53 | — | PI(16:0/0:0) | C25H49O12P | — | — | — | 0.89† | |
| 46 | 496.268 | 10.6473 | [M−H]− | 1.31 | 1.07 | 1.01 | 0.93 | — | PS(16:0/0:0) | C22H44NO9P | — | — | 0.92* | — | |
| 47 | 518.321 | 10.7014 | [M+Na]+ | 1.73 | 2.28 | 2.22 | 1.66 | HMDB0010382 | LysoPC(16:0) | C24H50NO7P | — | 1.19* | 1.41‡ | 1.21* | |
| 48 | 528.308 | 10.8622 | [M+H]+ | 3.82 | 2.46 | 2.61 | 2.63 | HMDB0011495 | LysoPE(0:0/22:5) | C27H46NO7P | 0.77‡ | 0.87* | 0.8‡ | 0.77‡ | |
| 49 | 1095.64 | 10.8841 | [M−H]− | 1.53 | 1.33 | 1.32 | 1.07 | HMDB0004842 | Ganglioside GM3 (d18:1/12:0) | C53H96N2O21 | 0.52‡ | 0.55‡ | 0.43‡ | 0.48‡ | |
| 50 | 570.355 | 10.9047 | [M+H]+ | 6.34 | 1.51 | 3.77 | 1.44 | HMDB0010403 | LysoPC(22:5) | C30H52NO7P | 0.81† | 0.95 | 0.85* | 0.97 | |
| 51 | 438.299 | 10.9115 | [M−H]− | 1.51 | 0.97 | 1.70 | 0.50 | HMDB0005780 | PE(O-16:0/0:0) | C21H46NO6P | 1.32‡ | 1.21* | 1.63‡ | 0.86 | |
| 52 | 480.309 | 10.9772 | [M+H]+ | 0.95 | 1.92 | 1.99 | 3.33 | HMDB0011476 | LysoPE(0:0/18:1) | C23H46NO7P | — | — | 0.87† | 0.74‡ | |
| 53 | 438.298 | 11.0137 | [M+H]+ | 1.72 | 1.67 | 1.03 | 1.24 | HMDB0011152 | PE(P-16:0/0:0) | C21H44NO6P | 1.11* | 1.09* | 1.09* | 0.89* | |
| 54 | 528.309 | 11.1544 | [M−H]− | 0.81 | 1.17 | 1.13 | 1.12 | HMDB0011493 | LysoPE(0:0/22:4) | C27H48NO7P | 0.88† | 0.76‡ | 0.69‡ | 0.59‡ | |
| 55 | 508.375 | 11.2894 | [M+H]+ | 0.92 | 1.14 | 1.19 | 0.19 | — | PC(O-18:1(9E)/0:0) | C26H54NO6P | — | 1.24* | 1.47‡ | 1.02 | |
| 56 | 483.273 | 11.6194 | [M−H]− | 1.55 | 1.47 | 1.92 | 1.04 | — | PG(16:0/0:0) | C22H45O9P | 0.92* | 0.88† | 0.76‡ | 0.89† | |
| 57 | 556.339 | 11.6446 | [M+Na]+ | 1.05 | 0.88 | 0.98 | 1.11 | HMDB0011492 | LysoPE(0:0/22:2) | C27H52NO7P | 0.85‡ | 0.87† | 0.74‡ | 0.67‡ | |
| 58 | 504.306 | 11.8836 | [M+H]+ | 0.22 | 0.44 | 0.51 | 1.04 | HMDB0011485 | LysoPE(0:0/20:3) | C25H46NO7P | — | — | 0.89* | 0.65‡ | |
| 59 | 480.31 | 11.8854 | [M−H]− | 1.25 | 1.40 | 2.05 | 3.41 | HMDB0011129 | LysoPE(0:0/18:0) | C23H48NO7P | — | — | 0.87† | 0.61‡ | |
| 60 | 524.371 | 11.947 | [M+H]+ | 5.50 | 4.13 | 4.66 | 8.38 | HMDB0010384 | LysoPC(18:0) | C26H54NO7P | 1.08* | — | 0.87† | 0.71‡ | |
| 61 | 1047.73 | 11.9471 | [M+Na]+ | 1.15 | 3.94 | 3.58 | 4.31 | HMDB0055889 | TG(22:5/22:6/22:6) | C69H100O6 | — | 0.76† | 0.56‡ | 0.43‡ | |
| 62 | 546.353 | 11.9579 | [M+H]+ | 1.10 | 1.33 | 1.30 | 2.27 | — | PS(20:4/0:0) | C26H44NO9P | — | — | 0.9* | 0.78‡ | |
| 63 | 600.402 | 12.1688 | [M+Na]+ | 0.23 | 1.10 | 1.25 | 0.95 | HMDB0010399 | LysoPC(22:1) | C30H60NO7P | — | — | 0.75‡ | 0.85† | |
| 64 | 524.299 | 12.2169 | [M−H]− | 0.45 | 1.14 | 1.07 | 1.56 | — | PS(18:0/0:0) | C24H48NO9P | — | 0.92* | 0.88† | 0.75‡ | |
| 65 | 466.329 | 12.2984 | [M+H]+ | 0.18 | 0.23 | 0.19 | 1.02 | — | PE(P-18:0/0:0) | C26H43NO6 | — | — | — | 0.63‡ | |
| 66 | 300.289 | 12.6925 | [M+H]+ | 1.53 | 1.88 | 1.76 | 2.32 | HMDB0000252 | Sphingosine | C18H37NO2 | 0.8‡ | 0.74‡ | 0.53‡ | 0.7‡ | Sphingolipid metabolism |
| 67 | 756.551 | 12.9843 | [M+H]+ | 0.59 | 1.87 | 2.42 | 1.41 | HMDB0008166 | PC(18:3/16:0) | C42H78NO8P | — | — | 5.14‡ | — | |
| 68 | 303.233 | 13.4473 | [M−H]− | 3.87 | 4.80 | 4.13 | 4.31 | HMDB0001043 | Arachidonic Acid (peroxide free) | C20H32O2 | 0.89‡ | 0.83‡ | 0.82‡ | 0.75‡ | Biosynthesis of unsaturated fatty acids |
| 69 | 788.554 | 13.4499 | [M+H]+ | 1.10 | 1.25 | 1.40 | 1.50 | HMDB0012390 | PS(18:1/18:1) | C42H78NO10P | 0.68 | 0.67* | 0.41† | 0.34‡ | |
| 70 | 353.266 | 13.5693 | [M+Na]+ | 0.54 | 1.12 | 1.01 | 0.83 | — | 1-Monopalmitin | C19H38O4 | — | 0.58† | 0.31‡ | 0.47‡ | |
| 71 | 279.233 | 13.5874 | [M−H]− | 1.62 | 1.07 | 1.54 | 1.27 | HMDB0000673 | Linoleic acid | C18H32O2 | 0.76† | 0.85* | 0.68‡ | 0.68‡ | Biosynthesis of unsaturated fatty acids |
| 72 | 754.536 | 14.1461 | [M+H]+ | 1.28 | 0.88 | 0.54 | 0.74 | HMDB0007974 | PC(16:0/18:4) | C42H76NO8P | 0.79* | — | — | 0.79* | |
| 73 | 804.551 | 14.1466 | [M+H]+ | 2.98 | 4.50 | 3.73 | 4.10 | HMDB0008023 | PC(16:1/22:6) | C46H78NO8P | 0.84† | 0.75‡ | 0.65‡ | 0.57‡ | |
| 74 | 805.554 | 14.1495 | [M+H]+ | 1.62 | 1.28 | 1.40 | 2.42 | HMDB0115266 | PA(22:0/22:6) | C47H81O8P | — | — | — | 0.81* | |
| 75 | 255.233 | 14.1514 | [M−H]− | 2.04 | 1.39 | 1.42 | 1.39 | HMDB0000220 | Palmitic acid | C16H32O2 | 0.72‡ | 0.82‡ | 0.78‡ | 0.71‡ | Biosynthesis of unsaturated fatty acids/Fatty acid metabolism |
| 76 | 381.174 | 14.307 | [M+Cl]- | 1.23 | 1.98 | 2.07 | 2.02 | HMDB0001547 | corticosterone | C21H30O4 | — | 0.86‡ | 0.8‡ | 0.74‡ | Steroid hormone biosynthesis |
aFC, fold changes at different dosages, compared to the control mice. *p < 0.05, †p < 0.01, ‡p < 0.001, “—” no statistically significant changes.